N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide

C12H19ClN2O2S — CID 43708233

IUPACN-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
SMILESCC(C)CCNc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)6-7-14-12-8-10(4-5-11(12)13)15-18(3,16)17/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyBTBZTLVGFLHCDG-UHFFFAOYSA-N
MW290.82 g/mol
LogP3.17
Rot. Bonds6

About N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide

N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide (PubChem CID 43708233) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
PubChem CID43708233
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
SMILESCC(C)CCNc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)6-7-14-12-8-10(4-5-11(12)13)15-18(3,16)17/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyBTBZTLVGFLHCDG-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
N-[3-[(4-bromothiophen-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 43708393
N-[4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66397679
N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107123951
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide (CID 43708233) is N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide is CC(C)CCNc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide?
The InChIKey is BTBZTLVGFLHCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(2)6-7-14-12-8-10(4-5-11(12)13)15-18(3,16)17/h4-5,8-9,14-15H,6-7H2,1-3H3.
What are the key properties of N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43708233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).